2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate

C14H21N3O5S — CID 175468048

IUPAC2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1cccc(S(=O)(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C14H21N3O5S/c15-11-4-6-17(7-5-11)23(19,20)13-3-1-2-12(10-13)21-8-9-22-14(16)18/h1-3,10-11H,4-9,15H2,(H2,16,18)
InChIKeyNAIQNWPTKSIMKW-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.27
Rot. Bonds6

About 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate

2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate (PubChem CID 175468048) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate
PubChem CID175468048
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1cccc(S(=O)(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C14H21N3O5S/c15-11-4-6-17(7-5-11)23(19,20)13-3-1-2-12(10-13)21-8-9-22-14(16)18/h1-3,10-11H,4-9,15H2,(H2,16,18)
InChIKeyNAIQNWPTKSIMKW-UHFFFAOYSA-N
XLogP0.27
TPSA124.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 166179095
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
2-(3-methylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 4796881
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
2-(3-chlorophenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602847
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120998716

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate?
The IUPAC name of 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate (CID 175468048) is 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate.
What is the SMILES notation for 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate?
The canonical SMILES for 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate is NC(=O)OCCOc1cccc(S(=O)(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate?
The InChIKey is NAIQNWPTKSIMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c15-11-4-6-17(7-5-11)23(19,20)13-3-1-2-12(10-13)21-8-9-22-14(16)18/h1-3,10-11H,4-9,15H2,(H2,16,18).
What are the key properties of 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate?
2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate has a molecular weight of 343.41 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminopiperidin-1-yl)sulfonylphenoxy]ethyl carbamate is sourced from PubChem (CID 175468048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).